2-[4-fluoro-3-(1,3-thiazol-4-yl)pyrazol-1-yl]-2-methylpropanal

C10H10FN3OS — CID 142565873

IUPAC2-[4-fluoro-3-(1,3-thiazol-4-yl)pyrazol-1-yl]-2-methylpropanal
SMILESCC(C)(C=O)n1cc(F)c(-c2cscn2)n1
InChIInChI=1S/C10H10FN3OS/c1-10(2,5-15)14-3-7(11)9(13-14)8-4-16-6-12-8/h3-6H,1-2H3
InChIKeyRVCYSKWBPKLMQI-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.08
Rot. Bonds3

About 2-[4-fluoro-3-(1,3-thiazol-4-yl)pyrazol-1-yl]-2-methylpropanal

2-[4-fluoro-3-(1,3-thiazol-4-yl)pyrazol-1-yl]-2-methylpropanal (PubChem CID 142565873) has the molecular formula C10H10FN3OS and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[4-fluoro-3-(1,3-thiazol-4-yl)pyrazol-1-yl]-2-methylpropanal.

Molecular Properties

Compound Name2-[4-fluoro-3-(1,3-thiazol-4-yl)pyrazol-1-yl]-2-methylpropanal
PubChem CID142565873
Molecular FormulaC10H10FN3OS
Molecular Weight239.28 g/mol
Exact Mass239.05
IUPAC Name2-[4-fluoro-3-(1,3-thiazol-4-yl)pyrazol-1-yl]-2-methylpropanal
SMILESCC(C)(C=O)n1cc(F)c(-c2cscn2)n1
InChIInChI=1S/C10H10FN3OS/c1-10(2,5-15)14-3-7(11)9(13-14)8-4-16-6-12-8/h3-6H,1-2H3
InChIKeyRVCYSKWBPKLMQI-UHFFFAOYSA-N
XLogP2.08
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(1,3-thiazol-4-yl)pyrazol-1-yl]-2-methylpropanal?
The IUPAC name of 2-[4-fluoro-3-(1,3-thiazol-4-yl)pyrazol-1-yl]-2-methylpropanal (CID 142565873) is 2-[4-fluoro-3-(1,3-thiazol-4-yl)pyrazol-1-yl]-2-methylpropanal.
What is the SMILES notation for 2-[4-fluoro-3-(1,3-thiazol-4-yl)pyrazol-1-yl]-2-methylpropanal?
The canonical SMILES for 2-[4-fluoro-3-(1,3-thiazol-4-yl)pyrazol-1-yl]-2-methylpropanal is CC(C)(C=O)n1cc(F)c(-c2cscn2)n1.
What is the InChIKey of 2-[4-fluoro-3-(1,3-thiazol-4-yl)pyrazol-1-yl]-2-methylpropanal?
The InChIKey is RVCYSKWBPKLMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3OS/c1-10(2,5-15)14-3-7(11)9(13-14)8-4-16-6-12-8/h3-6H,1-2H3.
What are the key properties of 2-[4-fluoro-3-(1,3-thiazol-4-yl)pyrazol-1-yl]-2-methylpropanal?
2-[4-fluoro-3-(1,3-thiazol-4-yl)pyrazol-1-yl]-2-methylpropanal has a molecular weight of 239.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(1,3-thiazol-4-yl)pyrazol-1-yl]-2-methylpropanal is sourced from PubChem (CID 142565873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).